5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol

C18H16Br2Cl2N4O — CID 160843146

IUPAC5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C11H12BrClN2O.C7H4BrClN2/c1-11(2,16)6-15-5-7-9(14-15)4-3-8(12)10(7)13;8-5-1-2-6-4(7(5)9)3-10-11-6/h3-5,16H,6H2,1-2H3;1-3H,(H,10,11)
InChIKeySIHHRTCYYXSGLV-UHFFFAOYSA-N
MW535.07 g/mol
LogP6.20
Rot. Bonds2

About 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol

5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol (PubChem CID 160843146) has the molecular formula C18H16Br2Cl2N4O and a molecular weight of 535.07 g/mol. Its IUPAC name is 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol
PubChem CID160843146
Molecular FormulaC18H16Br2Cl2N4O
Molecular Weight535.07 g/mol
Exact Mass531.91
IUPAC Name5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C11H12BrClN2O.C7H4BrClN2/c1-11(2,16)6-15-5-7-9(14-15)4-3-8(12)10(7)13;8-5-1-2-6-4(7(5)9)3-10-11-6/h3-5,16H,6H2,1-2H3;1-3H,(H,10,11)
InChIKeySIHHRTCYYXSGLV-UHFFFAOYSA-N
XLogP6.20
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.07
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole
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1-(5-Bromo-4-chloro-2H-indazol-2-yl)-2-methylpropan-2-ol
CID 146307891
5-Bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
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5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole
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5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
CID 157435274
5-bromo-4-chloro-1H-indazole;2-(5-bromo-4-chloroindazol-2-yl)-N,N-dimethylacetamide
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CID 158229275
5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-(2-methoxyethyl)indazole;4-chloro-2-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158495250
2-(5-Bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 158930609
5-Bromo-4-chloro-2-ethylindazole;(4-chloro-2-ethylindazol-5-yl)boronic acid
CID 159669446
5-Bromo-4-chloro-2-methylindazole;4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 159882701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol (CID 160843146) is 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12.
What is the InChIKey of 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol?
The InChIKey is SIHHRTCYYXSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O.C7H4BrClN2/c1-11(2,16)6-15-5-7-9(14-15)4-3-8(12)10(7)13;8-5-1-2-6-4(7(5)9)3-10-11-6/h3-5,16H,6H2,1-2H3;1-3H,(H,10,11).
What are the key properties of 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol?
5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol has a molecular weight of 535.07 g/mol, XLogP of 6.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1H-indazole;1-(5-bromo-4-chloroindazol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 160843146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).